(Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-en-1-amine

C11H19N3 — CID 121330192

IUPAC(Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-en-1-amine
SMILESCC1=CC(C)=N[C@@H](C)N1/C=C\CCN
InChIInChI=1S/C11H19N3/c1-9-8-10(2)14(11(3)13-9)7-5-4-6-12/h5,7-8,11H,4,6,12H2,1-3H3/b7-5-/t11-/m1/s1
InChIKeyJUERWUSKNGDZDQ-JPVGGKMYSA-N
MW193.29 g/mol
LogP1.88
Rot. Bonds3

About (Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-en-1-amine

(Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-en-1-amine (PubChem CID 121330192) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-en-1-amine
PubChem CID121330192
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-en-1-amine
SMILESCC1=CC(C)=N[C@@H](C)N1/C=C\CCN
InChIInChI=1S/C11H19N3/c1-9-8-10(2)14(11(3)13-9)7-5-4-6-12/h5,7-8,11H,4,6,12H2,1-3H3/b7-5-/t11-/m1/s1
InChIKeyJUERWUSKNGDZDQ-JPVGGKMYSA-N
XLogP1.88
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-but-3-en-2-yl-4-fluoro-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine
CID 121330273
1,2,4,6-tetramethyl-2H-pyrimidine
CID 407923
2,4,6-Trimethyl-1,2-dihydropyrimidine
CID 22901851
2,6-dimethyl-4-[(E)-prop-1-enyl]-1,2-dihydropyrimidine
CID 118281579
4-(Azetidin-1-ylmethyl)-6-methyl-1,2-dihydropyrimidine
CID 118486704
N,N-dimethyl-1-(6-methyl-1,2-dihydropyrimidin-4-yl)methanamine
CID 118486708
1-ethenyl-4,6-dimethyl-2H-pyrimidine
CID 121329488
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine
CID 121329489
(2S)-2,4,6-trimethyl-1,2-dihydropyrimidine
CID 121329502
N-[(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enyl]-N',N'-diethylpropane-1,3-diamine
CID 121329503
(Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine
CID 121329883
(Z)-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine
CID 121330078

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-en-1-amine?
The IUPAC name of (Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-en-1-amine (CID 121330192) is (Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-en-1-amine.
What is the SMILES notation for (Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-en-1-amine?
The canonical SMILES for (Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-en-1-amine is CC1=CC(C)=N[C@@H](C)N1/C=C\CCN.
What is the InChIKey of (Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-en-1-amine?
The InChIKey is JUERWUSKNGDZDQ-JPVGGKMYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9-8-10(2)14(11(3)13-9)7-5-4-6-12/h5,7-8,11H,4,6,12H2,1-3H3/b7-5-/t11-/m1/s1.
What are the key properties of (Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-en-1-amine?
(Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-en-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-en-1-amine is sourced from PubChem (CID 121330192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).